SCHEMBL3667542

SCHEMBL3667542

O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(OC2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
RXFP1 Q9HBX9 2/20 0.66
DGAT1 O75907 7/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 1/20 0.60
CSNK2A2 P19784 3/20 0.58
CSNK2A1 P68400 3/20 0.58
ALDH1A1 P00352 2/20 0.52
WNT3A P56704 3/20 0.51
LMNA P02545 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL601208 0.89 DGAT1 (0.76) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL600725 0.89 DGAT1 (0.76) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL600726 0.89 DGAT1 (0.76) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL3669325 0.88 DGAT1 (0.52) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL3668678 0.86 DGAT1 (0.64) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL3669423 0.85 DGAT1 (0.82) NPC1RAB9AMEN1KMT2ARXFP1
Bicarbonate SCHEMBL15656218 0.84 DGAT1 (0.80) NPC1RAB9AMEN1KMT2ARXFP1
Bicarbonate SCHEMBL15655183 0.80 DGAT1 (0.61) NPC1RAB9AMEN1KMT2ADGAT1
Bicarbonate SCHEMBL15656215 0.80 DGAT1 (0.85) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL601428 0.79 DGAT1 (0.65) NPC1RAB9AMEN1KMT2ARXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP claimed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO claimed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO disclosed